9-[[1-(4-chlorophenyl)cyclobutyl]methyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-[[1-(4-chlorophenyl)cyclobutyl]methyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine Openeye Name: 9-[[1-(4-chlorophenyl)cyclobutyl]methyl]-8-(2,5-dimethoxyphenyl)sulfanyl-purin-6-amine CAS Name: 9-[[1-(4-chlorophenyl)cyclobutyl]methyl]-8-[(2,5-dimethoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[[1-(4-chlorophenyl)cyclobutyl]methyl]-8-(2,5-dimethoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-[[1-(4-chlorophenyl)cyclobutyl]methyl]-8-[(2,5-dimethoxyphenyl)thio]purin-6-yl]amine Formula: C24H24ClN5O2S MolecularWeight: 481.99766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CC4(CCC4)C5=CC=C(C=C5)Cl)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=NC3=C(N2CC4(CCC4)C5=CC=C(C=C5)Cl)N=CN=C3N

InChI

InChI=1S/C24H24ClN5O2S/c1-31-17-8-9-18(32-2)19(12-17)33-23-29-20-21(26)27-14-28-22(20)30(23)13-24(10-3-11-24)15-4-6-16(25)7-5-15/h4-9,12,14H,3,10-11,13H2,1-2H3,(H2,26,27,28)